1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one

C11H14ClNO2 — CID 12572233

IUPAC1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one
SMILESCN(C)CCC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C11H14ClNO2/c1-13(2)6-5-11(15)9-7-8(12)3-4-10(9)14/h3-4,7,14H,5-6H2,1-2H3
InChIKeyNUCAXZVTRKOCOK-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.18
Rot. Bonds4

About 1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one

1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one (PubChem CID 12572233) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one.

Molecular Properties

Compound Name1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one
PubChem CID12572233
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one
SMILESCN(C)CCC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C11H14ClNO2/c1-13(2)6-5-11(15)9-7-8(12)3-4-10(9)14/h3-4,7,14H,5-6H2,1-2H3
InChIKeyNUCAXZVTRKOCOK-UHFFFAOYSA-N
XLogP2.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-hydroxyphenyl)-5-(dimethylamino)pentan-1-one
CID 160849157
1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride
CID 127255589
5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide
CID 63700387
1-(5-chloro-2-hydroxyphenyl)octan-1-one
CID 3917734
7-bromo-1-(5-chloro-2-hydroxyphenyl)heptan-1-one
CID 18931140
6-bromo-1-(5-chloro-2-hydroxyphenyl)hexan-1-one
CID 18931145
5-chloro-2-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 43573260
5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
CID 63394967
1-(5-chloro-2,3-dimethoxyphenyl)-3-(dimethylamino)propan-1-one
CID 3088210
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484021
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-hydroxybenzamide
CID 47298057
5-chloro-N-[3-(diethylamino)propyl]-N-ethyl-2-hydroxybenzamide
CID 102993943

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one?
The IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one (CID 12572233) is 1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one.
What is the SMILES notation for 1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one?
The canonical SMILES for 1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one is CN(C)CCC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one?
The InChIKey is NUCAXZVTRKOCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-13(2)6-5-11(15)9-7-8(12)3-4-10(9)14/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one?
1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one has a molecular weight of 227.69 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one is sourced from PubChem (CID 12572233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).